USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 485 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 488 GLN : amide:sc= 0.503 K(o=0.5,f=-4.2!) USER MOD Set 2.1: A 468 MET CE :methyl 161:sc= -4.34! (180deg=-5.17!) USER MOD Set 2.2: A 476 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.11) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot 30:sc= -0.314 USER MOD Single : A 466 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00871) USER MOD Single : A 469 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 471 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0813) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 489 THR OG1 : rot 75:sc= 0.972 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=-0.0005) USER MOD Single : A 495 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.12) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 501 ASN : amide:sc= -5! C(o=-5!,f=-7.7!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -165:sc= -0.0389 (180deg=-0.339) USER MOD Single : A 508 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.99) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -153:sc= -3.3 (180deg=-4.65!) USER MOD Single : A 512 HIS :FLIP no HE2:sc= -4.29! C(o=-5.2!,f=-4.3!) USER MOD Single : A 514 SER OG : rot 80:sc= 0 USER MOD Single : A 516 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.301) USER MOD Single : B 949 MET CE :methyl 138:sc= -3.16! (180deg=-9.11!) USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= -4.05 K(o=-4.1,f=-7.2!) USER MOD Single : B 961 MET CE :methyl -138:sc= -0.233 (180deg=-0.799) USER MOD ----------------------------------------------------------------- ATOM 29 N GLN A 453 -14.028 6.397 0.765 1.00 0.00 N ATOM 30 CA GLN A 453 -13.520 5.640 1.903 1.00 0.00 C ATOM 31 C GLN A 453 -12.581 4.530 1.442 1.00 0.00 C ATOM 32 O GLN A 453 -12.730 3.993 0.344 1.00 0.00 O ATOM 33 CB GLN A 453 -14.680 5.044 2.703 1.00 0.00 C ATOM 34 CG GLN A 453 -15.684 6.079 3.181 1.00 0.00 C ATOM 35 CD GLN A 453 -15.052 7.146 4.054 1.00 0.00 C ATOM 36 OE1 GLN A 453 -14.322 6.840 4.996 1.00 0.00 O ATOM 37 NE2 GLN A 453 -15.332 8.406 3.744 1.00 0.00 N ATOM 0 HA GLN A 453 -12.960 6.323 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -15.195 4.308 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -14.280 4.512 3.566 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -16.152 6.552 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -16.476 5.580 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -15.943 8.613 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -14.936 9.167 4.296 1.00 0.00 H new ATOM 46 N VAL A 454 -11.614 4.190 2.287 1.00 0.00 N ATOM 47 CA VAL A 454 -10.650 3.145 1.966 1.00 0.00 C ATOM 48 C VAL A 454 -11.065 1.811 2.577 1.00 0.00 C ATOM 49 O VAL A 454 -11.339 1.723 3.774 1.00 0.00 O ATOM 50 CB VAL A 454 -9.240 3.508 2.464 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.216 2.512 1.942 1.00 0.00 C ATOM 52 CG2 VAL A 454 -8.875 4.925 2.049 1.00 0.00 C ATOM 0 H VAL A 454 -11.477 4.623 3.200 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.630 3.055 0.880 1.00 0.00 H new ATOM 0 HB VAL A 454 -9.236 3.461 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.225 2.785 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.469 1.512 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.220 2.524 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.875 5.164 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.897 5.003 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.592 5.626 2.477 1.00 0.00 H new ATOM 62 N THR A 455 -11.109 0.773 1.746 1.00 0.00 N ATOM 63 CA THR A 455 -11.490 -0.558 2.204 1.00 0.00 C ATOM 64 C THR A 455 -10.447 -1.593 1.796 1.00 0.00 C ATOM 65 O THR A 455 -9.856 -1.502 0.719 1.00 0.00 O ATOM 66 CB THR A 455 -12.857 -0.942 1.638 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.826 0.043 1.952 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.368 -2.270 2.157 1.00 0.00 C ATOM 0 H THR A 455 -10.885 0.829 0.752 1.00 0.00 H new ATOM 0 HA THR A 455 -11.548 -0.538 3.292 1.00 0.00 H new ATOM 0 HB THR A 455 -12.711 -1.022 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.693 -0.221 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.342 -2.483 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.667 -3.060 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.463 -2.224 3.242 1.00 0.00 H new ATOM 76 N GLU A 456 -10.228 -2.578 2.661 1.00 0.00 N ATOM 77 CA GLU A 456 -9.257 -3.632 2.389 1.00 0.00 C ATOM 78 C GLU A 456 -9.616 -4.386 1.113 1.00 0.00 C ATOM 79 O GLU A 456 -8.741 -4.734 0.318 1.00 0.00 O ATOM 80 CB GLU A 456 -9.185 -4.605 3.567 1.00 0.00 C ATOM 81 CG GLU A 456 -8.096 -5.655 3.423 1.00 0.00 C ATOM 82 CD GLU A 456 -8.106 -6.668 4.553 1.00 0.00 C ATOM 83 OE1 GLU A 456 -8.988 -6.571 5.432 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.232 -7.560 4.558 1.00 0.00 O ATOM 0 H GLU A 456 -10.709 -2.668 3.556 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.281 -3.166 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.015 -4.041 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.148 -5.105 3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.222 -6.175 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.124 -5.163 3.391 1.00 0.00 H new ATOM 91 N ASP A 457 -10.906 -4.638 0.924 1.00 0.00 N ATOM 92 CA ASP A 457 -11.381 -5.351 -0.256 1.00 0.00 C ATOM 93 C ASP A 457 -11.047 -4.580 -1.529 1.00 0.00 C ATOM 94 O ASP A 457 -10.665 -5.167 -2.541 1.00 0.00 O ATOM 95 CB ASP A 457 -12.891 -5.582 -0.167 1.00 0.00 C ATOM 96 CG ASP A 457 -13.394 -6.539 -1.229 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.561 -7.242 -1.840 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.623 -6.586 -1.452 1.00 0.00 O ATOM 0 H ASP A 457 -11.642 -4.359 1.573 1.00 0.00 H new ATOM 0 HA ASP A 457 -10.875 -6.316 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.138 -5.976 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.408 -4.628 -0.268 1.00 0.00 H new ATOM 103 N ALA A 458 -11.195 -3.261 -1.472 1.00 0.00 N ATOM 104 CA ALA A 458 -10.909 -2.409 -2.620 1.00 0.00 C ATOM 105 C ALA A 458 -9.426 -2.441 -2.973 1.00 0.00 C ATOM 106 O ALA A 458 -9.059 -2.527 -4.145 1.00 0.00 O ATOM 107 CB ALA A 458 -11.356 -0.982 -2.341 1.00 0.00 C ATOM 0 H ALA A 458 -11.511 -2.759 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 458 -11.467 -2.793 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -11.137 -0.356 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -12.428 -0.968 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.824 -0.598 -1.471 1.00 0.00 H new ATOM 113 N VAL A 459 -8.578 -2.372 -1.952 1.00 0.00 N ATOM 114 CA VAL A 459 -7.135 -2.395 -2.155 1.00 0.00 C ATOM 115 C VAL A 459 -6.685 -3.727 -2.745 1.00 0.00 C ATOM 116 O VAL A 459 -5.906 -3.765 -3.696 1.00 0.00 O ATOM 117 CB VAL A 459 -6.378 -2.147 -0.836 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.881 -2.037 -1.087 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.903 -0.896 -0.145 1.00 0.00 C ATOM 0 H VAL A 459 -8.866 -2.300 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.901 -1.593 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.549 -2.998 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.366 -1.862 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.518 -2.963 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.686 -1.207 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.356 -0.737 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.766 -0.035 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.964 -1.019 0.074 1.00 0.00 H new ATOM 129 N ARG A 460 -7.183 -4.819 -2.173 1.00 0.00 N ATOM 130 CA ARG A 460 -6.832 -6.156 -2.639 1.00 0.00 C ATOM 131 C ARG A 460 -7.215 -6.341 -4.105 1.00 0.00 C ATOM 132 O ARG A 460 -6.542 -7.056 -4.847 1.00 0.00 O ATOM 133 CB ARG A 460 -7.527 -7.216 -1.782 1.00 0.00 C ATOM 134 CG ARG A 460 -7.125 -8.639 -2.131 1.00 0.00 C ATOM 135 CD ARG A 460 -7.805 -9.650 -1.220 1.00 0.00 C ATOM 136 NE ARG A 460 -9.242 -9.733 -1.471 1.00 0.00 N ATOM 137 CZ ARG A 460 -10.014 -10.726 -1.035 1.00 0.00 C ATOM 138 NH1 ARG A 460 -9.492 -11.720 -0.327 1.00 0.00 N ATOM 139 NH2 ARG A 460 -11.312 -10.725 -1.308 1.00 0.00 N ATOM 0 H ARG A 460 -7.831 -4.804 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.752 -6.273 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.299 -7.030 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.606 -7.114 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.387 -8.848 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.043 -8.743 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.354 -10.631 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -7.634 -9.373 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.679 -8.987 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -8.494 -11.726 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -10.088 -12.478 0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -11.718 -9.964 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -11.904 -11.486 -0.974 1.00 0.00 H new ATOM 153 N ARG A 461 -8.301 -5.693 -4.515 1.00 0.00 N ATOM 154 CA ARG A 461 -8.776 -5.785 -5.892 1.00 0.00 C ATOM 155 C ARG A 461 -7.687 -5.372 -6.877 1.00 0.00 C ATOM 156 O ARG A 461 -7.570 -5.942 -7.962 1.00 0.00 O ATOM 157 CB ARG A 461 -10.013 -4.907 -6.085 1.00 0.00 C ATOM 158 CG ARG A 461 -10.639 -5.033 -7.465 1.00 0.00 C ATOM 159 CD ARG A 461 -11.816 -4.085 -7.633 1.00 0.00 C ATOM 160 NE ARG A 461 -12.881 -4.360 -6.671 1.00 0.00 N ATOM 161 CZ ARG A 461 -14.093 -3.814 -6.733 1.00 0.00 C ATOM 162 NH1 ARG A 461 -14.398 -2.965 -7.707 1.00 0.00 N ATOM 163 NH2 ARG A 461 -15.005 -4.117 -5.820 1.00 0.00 N ATOM 0 H ARG A 461 -8.870 -5.098 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 461 -9.040 -6.824 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -10.756 -5.170 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.740 -3.866 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -9.889 -4.821 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.972 -6.059 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -11.474 -3.057 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -12.210 -4.172 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 461 -12.684 -5.008 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -13.702 -2.728 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -15.329 -2.550 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -14.778 -4.769 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -15.934 -3.698 -5.868 1.00 0.00 H new ATOM 177 N TYR A 462 -6.893 -4.378 -6.494 1.00 0.00 N ATOM 178 CA TYR A 462 -5.815 -3.890 -7.347 1.00 0.00 C ATOM 179 C TYR A 462 -4.700 -4.925 -7.468 1.00 0.00 C ATOM 180 O TYR A 462 -4.183 -5.169 -8.557 1.00 0.00 O ATOM 181 CB TYR A 462 -5.252 -2.580 -6.792 1.00 0.00 C ATOM 182 CG TYR A 462 -6.251 -1.444 -6.790 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.386 -0.611 -7.893 1.00 0.00 C ATOM 184 CD2 TYR A 462 -7.057 -1.205 -5.684 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.298 0.427 -7.895 1.00 0.00 C ATOM 186 CE2 TYR A 462 -7.972 -0.169 -5.678 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.087 0.644 -6.786 1.00 0.00 C ATOM 188 OH TYR A 462 -8.995 1.678 -6.784 1.00 0.00 O ATOM 0 H TYR A 462 -6.975 -3.895 -5.600 1.00 0.00 H new ATOM 0 HA TYR A 462 -6.226 -3.711 -8.340 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.903 -2.747 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.384 -2.288 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.768 -0.777 -8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.967 -1.839 -4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.392 1.065 -8.761 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -8.593 0.003 -4.811 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.472 1.693 -5.928 1.00 0.00 H new ATOM 198 N LEU A 463 -4.333 -5.527 -6.342 1.00 0.00 N ATOM 199 CA LEU A 463 -3.276 -6.534 -6.323 1.00 0.00 C ATOM 200 C LEU A 463 -3.716 -7.801 -7.049 1.00 0.00 C ATOM 201 O LEU A 463 -2.911 -8.466 -7.700 1.00 0.00 O ATOM 202 CB LEU A 463 -2.886 -6.869 -4.882 1.00 0.00 C ATOM 203 CG LEU A 463 -2.285 -5.705 -4.089 1.00 0.00 C ATOM 204 CD1 LEU A 463 -3.344 -5.053 -3.212 1.00 0.00 C ATOM 205 CD2 LEU A 463 -1.113 -6.184 -3.245 1.00 0.00 C ATOM 0 H LEU A 463 -4.751 -5.336 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 463 -2.410 -6.122 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.770 -7.229 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -2.168 -7.689 -4.897 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.918 -4.960 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -2.899 -4.228 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -4.152 -4.674 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -3.741 -5.789 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.698 -5.344 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -1.455 -6.948 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.345 -6.604 -3.894 1.00 0.00 H new ATOM 217 N THR A 464 -4.999 -8.130 -6.932 1.00 0.00 N ATOM 218 CA THR A 464 -5.544 -9.316 -7.575 1.00 0.00 C ATOM 219 C THR A 464 -5.436 -9.213 -9.094 1.00 0.00 C ATOM 220 O THR A 464 -5.331 -10.224 -9.789 1.00 0.00 O ATOM 221 CB THR A 464 -7.004 -9.511 -7.167 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.677 -8.267 -7.102 1.00 0.00 O ATOM 223 CG2 THR A 464 -7.165 -10.190 -5.824 1.00 0.00 C ATOM 0 H THR A 464 -5.679 -7.590 -6.397 1.00 0.00 H new ATOM 0 HA THR A 464 -4.962 -10.178 -7.248 1.00 0.00 H new ATOM 0 HB THR A 464 -7.435 -10.154 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 464 -7.275 -7.644 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 464 -8.225 -10.297 -5.595 1.00 0.00 H new ATOM 0 HG22 THR A 464 -6.699 -11.175 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 464 -6.687 -9.587 -5.052 1.00 0.00 H new ATOM 231 N ARG A 465 -5.462 -7.984 -9.603 1.00 0.00 N ATOM 232 CA ARG A 465 -5.366 -7.752 -11.040 1.00 0.00 C ATOM 233 C ARG A 465 -3.923 -7.864 -11.515 1.00 0.00 C ATOM 234 O ARG A 465 -3.581 -8.746 -12.301 1.00 0.00 O ATOM 235 CB ARG A 465 -5.927 -6.374 -11.394 1.00 0.00 C ATOM 236 CG ARG A 465 -7.431 -6.263 -11.207 1.00 0.00 C ATOM 237 CD ARG A 465 -7.954 -4.919 -11.687 1.00 0.00 C ATOM 238 NE ARG A 465 -7.904 -4.800 -13.143 1.00 0.00 N ATOM 239 CZ ARG A 465 -8.245 -3.700 -13.809 1.00 0.00 C ATOM 240 NH1 ARG A 465 -8.663 -2.623 -13.156 1.00 0.00 N ATOM 241 NH2 ARG A 465 -8.169 -3.676 -15.133 1.00 0.00 N ATOM 0 H ARG A 465 -5.549 -7.136 -9.043 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.955 -8.517 -11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -5.436 -5.622 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.680 -6.146 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.927 -7.064 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.679 -6.396 -10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.981 -4.788 -11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -7.365 -4.119 -11.238 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.589 -5.608 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -8.724 -2.636 -12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -8.923 -1.783 -13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -7.849 -4.501 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -8.430 -2.833 -15.644 1.00 0.00 H new ATOM 255 N LYS A 466 -3.082 -6.962 -11.028 1.00 0.00 N ATOM 256 CA LYS A 466 -1.672 -6.950 -11.397 1.00 0.00 C ATOM 257 C LYS A 466 -0.806 -6.488 -10.228 1.00 0.00 C ATOM 258 O LYS A 466 -1.275 -5.772 -9.344 1.00 0.00 O ATOM 259 CB LYS A 466 -1.447 -6.039 -12.605 1.00 0.00 C ATOM 260 CG LYS A 466 -1.811 -4.585 -12.348 1.00 0.00 C ATOM 261 CD LYS A 466 -3.316 -4.398 -12.246 1.00 0.00 C ATOM 262 CE LYS A 466 -3.752 -3.065 -12.831 1.00 0.00 C ATOM 263 NZ LYS A 466 -5.018 -2.576 -12.218 1.00 0.00 N ATOM 0 H LYS A 466 -3.352 -6.227 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.383 -7.968 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -0.400 -6.096 -12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -2.037 -6.410 -13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -1.338 -4.248 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.420 -3.963 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.821 -5.209 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.621 -4.455 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -2.965 -2.326 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.886 -3.168 -13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.245 -1.634 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -5.790 -3.235 -12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -4.904 -2.518 -11.186 1.00 0.00 H new ATOM 277 N PRO A 467 0.476 -6.891 -10.211 1.00 0.00 N ATOM 278 CA PRO A 467 1.408 -6.513 -9.143 1.00 0.00 C ATOM 279 C PRO A 467 1.464 -5.004 -8.932 1.00 0.00 C ATOM 280 O PRO A 467 1.468 -4.234 -9.892 1.00 0.00 O ATOM 281 CB PRO A 467 2.758 -7.033 -9.644 1.00 0.00 C ATOM 282 CG PRO A 467 2.415 -8.139 -10.581 1.00 0.00 C ATOM 283 CD PRO A 467 1.116 -7.745 -11.228 1.00 0.00 C ATOM 0 HA PRO A 467 1.110 -6.926 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 467 3.322 -6.248 -10.148 1.00 0.00 H new ATOM 0 HB3 PRO A 467 3.375 -7.390 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.197 -8.275 -11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.315 -9.085 -10.049 1.00 0.00 H new ATOM 0 HD2 PRO A 467 1.279 -7.206 -12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.504 -8.616 -11.465 1.00 0.00 H new ATOM 291 N MET A 468 1.508 -4.589 -7.670 1.00 0.00 N ATOM 292 CA MET A 468 1.563 -3.172 -7.334 1.00 0.00 C ATOM 293 C MET A 468 2.457 -2.934 -6.121 1.00 0.00 C ATOM 294 O MET A 468 2.455 -3.721 -5.175 1.00 0.00 O ATOM 295 CB MET A 468 0.157 -2.636 -7.061 1.00 0.00 C ATOM 296 CG MET A 468 0.061 -1.121 -7.116 1.00 0.00 C ATOM 297 SD MET A 468 -1.628 -0.524 -6.901 1.00 0.00 S ATOM 298 CE MET A 468 -1.453 1.181 -7.421 1.00 0.00 C ATOM 0 H MET A 468 1.507 -5.214 -6.864 1.00 0.00 H new ATOM 0 HA MET A 468 1.988 -2.639 -8.185 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.533 -3.062 -7.790 1.00 0.00 H new ATOM 0 HB3 MET A 468 -0.168 -2.977 -6.078 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.695 -0.692 -6.340 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.447 -0.771 -8.073 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.433 1.588 -7.669 1.00 0.00 H new ATOM 0 HE2 MET A 468 -1.012 1.764 -6.613 1.00 0.00 H new ATOM 0 HE3 MET A 468 -0.807 1.230 -8.298 1.00 0.00 H new ATOM 308 N THR A 469 3.218 -1.846 -6.157 1.00 0.00 N ATOM 309 CA THR A 469 4.116 -1.504 -5.059 1.00 0.00 C ATOM 310 C THR A 469 3.364 -0.786 -3.944 1.00 0.00 C ATOM 311 O THR A 469 2.277 -0.250 -4.161 1.00 0.00 O ATOM 312 CB THR A 469 5.262 -0.627 -5.565 1.00 0.00 C ATOM 313 OG1 THR A 469 4.810 0.693 -5.814 1.00 0.00 O ATOM 314 CG2 THR A 469 5.894 -1.144 -6.839 1.00 0.00 C ATOM 0 H THR A 469 3.231 -1.185 -6.934 1.00 0.00 H new ATOM 0 HA THR A 469 4.527 -2.430 -4.657 1.00 0.00 H new ATOM 0 HB THR A 469 6.012 -0.646 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 469 5.557 1.239 -6.136 1.00 0.00 H new ATOM 0 HG21 THR A 469 6.699 -0.475 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 469 6.296 -2.142 -6.666 1.00 0.00 H new ATOM 0 HG23 THR A 469 5.142 -1.187 -7.627 1.00 0.00 H new ATOM 322 N THR A 470 3.950 -0.780 -2.752 1.00 0.00 N ATOM 323 CA THR A 470 3.335 -0.126 -1.602 1.00 0.00 C ATOM 324 C THR A 470 3.127 1.361 -1.869 1.00 0.00 C ATOM 325 O THR A 470 2.060 1.908 -1.589 1.00 0.00 O ATOM 326 CB THR A 470 4.203 -0.314 -0.357 1.00 0.00 C ATOM 327 OG1 THR A 470 5.527 0.128 -0.598 1.00 0.00 O ATOM 328 CG2 THR A 470 4.275 -1.751 0.111 1.00 0.00 C ATOM 0 H THR A 470 4.849 -1.220 -2.556 1.00 0.00 H new ATOM 0 HA THR A 470 2.362 -0.587 -1.432 1.00 0.00 H new ATOM 0 HB THR A 470 3.725 0.280 0.422 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.066 0.001 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.906 -1.814 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.273 -2.105 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.698 -2.371 -0.680 1.00 0.00 H new ATOM 336 N LYS A 471 4.152 2.007 -2.411 1.00 0.00 N ATOM 337 CA LYS A 471 4.084 3.431 -2.716 1.00 0.00 C ATOM 338 C LYS A 471 2.958 3.723 -3.704 1.00 0.00 C ATOM 339 O LYS A 471 2.250 4.722 -3.575 1.00 0.00 O ATOM 340 CB LYS A 471 5.417 3.919 -3.287 1.00 0.00 C ATOM 341 CG LYS A 471 5.481 5.425 -3.481 1.00 0.00 C ATOM 342 CD LYS A 471 6.908 5.897 -3.711 1.00 0.00 C ATOM 343 CE LYS A 471 7.417 5.493 -5.087 1.00 0.00 C ATOM 344 NZ LYS A 471 8.709 4.756 -5.006 1.00 0.00 N ATOM 0 H LYS A 471 5.041 1.567 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 471 3.878 3.965 -1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 471 6.223 3.613 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.593 3.430 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 471 4.861 5.710 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 471 5.069 5.924 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 471 6.954 6.981 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 471 7.559 5.477 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.673 4.868 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 471 7.545 6.383 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 9.022 4.498 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 9.426 5.361 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 8.582 3.893 -4.440 1.00 0.00 H new ATOM 358 N ASP A 472 2.799 2.846 -4.690 1.00 0.00 N ATOM 359 CA ASP A 472 1.759 3.011 -5.699 1.00 0.00 C ATOM 360 C ASP A 472 0.377 3.060 -5.056 1.00 0.00 C ATOM 361 O ASP A 472 -0.493 3.817 -5.485 1.00 0.00 O ATOM 362 CB ASP A 472 1.821 1.871 -6.717 1.00 0.00 C ATOM 363 CG ASP A 472 3.073 1.925 -7.571 1.00 0.00 C ATOM 364 OD1 ASP A 472 3.742 2.979 -7.580 1.00 0.00 O ATOM 365 OD2 ASP A 472 3.385 0.910 -8.230 1.00 0.00 O ATOM 0 H ASP A 472 3.377 2.014 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 472 1.934 3.957 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 472 1.784 0.916 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 472 0.943 1.915 -7.361 1.00 0.00 H new ATOM 370 N LEU A 473 0.184 2.248 -4.024 1.00 0.00 N ATOM 371 CA LEU A 473 -1.092 2.197 -3.318 1.00 0.00 C ATOM 372 C LEU A 473 -1.379 3.521 -2.618 1.00 0.00 C ATOM 373 O LEU A 473 -2.509 4.011 -2.634 1.00 0.00 O ATOM 374 CB LEU A 473 -1.089 1.057 -2.297 1.00 0.00 C ATOM 375 CG LEU A 473 -0.897 -0.341 -2.888 1.00 0.00 C ATOM 376 CD1 LEU A 473 -0.701 -1.364 -1.780 1.00 0.00 C ATOM 377 CD2 LEU A 473 -2.085 -0.718 -3.759 1.00 0.00 C ATOM 0 H LEU A 473 0.895 1.615 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.878 2.016 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.296 1.241 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -2.031 1.077 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 473 -0.003 -0.333 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.566 -2.353 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.181 -1.102 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -1.577 -1.371 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.932 -1.715 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.994 -0.710 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.182 0.000 -4.573 1.00 0.00 H new ATOM 389 N LEU A 474 -0.351 4.095 -2.004 1.00 0.00 N ATOM 390 CA LEU A 474 -0.492 5.363 -1.296 1.00 0.00 C ATOM 391 C LEU A 474 -0.679 6.517 -2.274 1.00 0.00 C ATOM 392 O LEU A 474 -1.383 7.482 -1.981 1.00 0.00 O ATOM 393 CB LEU A 474 0.730 5.619 -0.414 1.00 0.00 C ATOM 394 CG LEU A 474 0.673 4.974 0.973 1.00 0.00 C ATOM 395 CD1 LEU A 474 2.076 4.754 1.518 1.00 0.00 C ATOM 396 CD2 LEU A 474 -0.142 5.835 1.925 1.00 0.00 C ATOM 0 H LEU A 474 0.590 3.703 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.379 5.299 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.616 5.253 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 474 0.853 6.695 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 474 0.185 4.003 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.015 4.295 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 474 2.629 4.098 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 474 2.591 5.712 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.173 5.363 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.319 6.819 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -1.157 5.941 1.541 1.00 0.00 H new ATOM 408 N LYS A 475 -0.043 6.415 -3.437 1.00 0.00 N ATOM 409 CA LYS A 475 -0.140 7.454 -4.455 1.00 0.00 C ATOM 410 C LYS A 475 -1.585 7.642 -4.910 1.00 0.00 C ATOM 411 O LYS A 475 -2.027 8.764 -5.157 1.00 0.00 O ATOM 412 CB LYS A 475 0.743 7.107 -5.655 1.00 0.00 C ATOM 413 CG LYS A 475 2.228 7.302 -5.395 1.00 0.00 C ATOM 414 CD LYS A 475 3.064 6.857 -6.583 1.00 0.00 C ATOM 415 CE LYS A 475 2.871 7.777 -7.778 1.00 0.00 C ATOM 416 NZ LYS A 475 3.493 9.112 -7.557 1.00 0.00 N ATOM 0 H LYS A 475 0.545 5.623 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 475 0.207 8.389 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 475 0.565 6.069 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.447 7.724 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 475 2.426 8.352 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 475 2.521 6.737 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 475 4.117 6.840 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 475 2.792 5.838 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 475 3.306 7.316 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 475 1.806 7.901 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 3.490 9.648 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 2.952 9.632 -6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 4.473 8.989 -7.231 1.00 0.00 H new ATOM 430 N LYS A 476 -2.315 6.537 -5.021 1.00 0.00 N ATOM 431 CA LYS A 476 -3.709 6.582 -5.449 1.00 0.00 C ATOM 432 C LYS A 476 -4.552 7.408 -4.483 1.00 0.00 C ATOM 433 O LYS A 476 -5.446 8.145 -4.898 1.00 0.00 O ATOM 434 CB LYS A 476 -4.277 5.165 -5.556 1.00 0.00 C ATOM 435 CG LYS A 476 -3.563 4.301 -6.582 1.00 0.00 C ATOM 436 CD LYS A 476 -3.716 4.862 -7.986 1.00 0.00 C ATOM 437 CE LYS A 476 -3.129 3.923 -9.028 1.00 0.00 C ATOM 438 NZ LYS A 476 -4.141 2.956 -9.537 1.00 0.00 N ATOM 0 H LYS A 476 -1.965 5.600 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.745 7.057 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -4.215 4.683 -4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -5.334 5.225 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -2.505 4.234 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -3.964 3.288 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -4.772 5.029 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -3.221 5.831 -8.048 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -2.733 4.506 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -2.291 3.377 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.701 2.334 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.501 2.382 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -4.929 3.476 -9.974 1.00 0.00 H new ATOM 452 N PHE A 477 -4.263 7.281 -3.192 1.00 0.00 N ATOM 453 CA PHE A 477 -4.997 8.016 -2.168 1.00 0.00 C ATOM 454 C PHE A 477 -4.045 8.799 -1.270 1.00 0.00 C ATOM 455 O PHE A 477 -4.212 8.834 -0.051 1.00 0.00 O ATOM 456 CB PHE A 477 -5.837 7.054 -1.326 1.00 0.00 C ATOM 457 CG PHE A 477 -6.895 6.335 -2.113 1.00 0.00 C ATOM 458 CD1 PHE A 477 -8.133 6.918 -2.330 1.00 0.00 C ATOM 459 CD2 PHE A 477 -6.651 5.074 -2.635 1.00 0.00 C ATOM 460 CE1 PHE A 477 -9.108 6.258 -3.054 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.622 4.409 -3.359 1.00 0.00 C ATOM 462 CZ PHE A 477 -8.853 5.002 -3.569 1.00 0.00 C ATOM 0 H PHE A 477 -3.526 6.676 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 477 -5.658 8.724 -2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.178 6.320 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -6.312 7.611 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.339 7.899 -1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.691 4.606 -2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.069 6.724 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -7.419 3.427 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.614 4.484 -4.135 1.00 0.00 H new ATOM 472 N GLN A 478 -3.044 9.426 -1.880 1.00 0.00 N ATOM 473 CA GLN A 478 -2.066 10.208 -1.134 1.00 0.00 C ATOM 474 C GLN A 478 -2.734 11.382 -0.427 1.00 0.00 C ATOM 475 O GLN A 478 -2.729 11.466 0.801 1.00 0.00 O ATOM 476 CB GLN A 478 -0.969 10.719 -2.070 1.00 0.00 C ATOM 477 CG GLN A 478 0.175 11.412 -1.347 1.00 0.00 C ATOM 478 CD GLN A 478 1.175 12.036 -2.300 1.00 0.00 C ATOM 479 OE1 GLN A 478 0.826 12.896 -3.108 1.00 0.00 O ATOM 480 NE2 GLN A 478 2.427 11.603 -2.210 1.00 0.00 N ATOM 0 H GLN A 478 -2.889 9.407 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 478 -1.618 9.560 -0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -0.571 9.880 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.409 11.413 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -0.229 12.185 -0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 478 0.687 10.691 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 478 2.671 10.888 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 478 3.144 11.985 -2.826 1.00 0.00 H new ATOM 489 N THR A 479 -3.312 12.285 -1.211 1.00 0.00 N ATOM 490 CA THR A 479 -3.988 13.454 -0.661 1.00 0.00 C ATOM 491 C THR A 479 -5.003 14.016 -1.653 1.00 0.00 C ATOM 492 O THR A 479 -5.308 15.208 -1.635 1.00 0.00 O ATOM 493 CB THR A 479 -2.969 14.533 -0.293 1.00 0.00 C ATOM 494 OG1 THR A 479 -2.173 14.873 -1.415 1.00 0.00 O ATOM 495 CG2 THR A 479 -2.035 14.118 0.823 1.00 0.00 C ATOM 0 H THR A 479 -3.326 12.230 -2.229 1.00 0.00 H new ATOM 0 HA THR A 479 -4.520 13.143 0.238 1.00 0.00 H new ATOM 0 HB THR A 479 -3.559 15.385 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 479 -1.528 15.566 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 479 -1.338 14.929 1.034 1.00 0.00 H new ATOM 0 HG22 THR A 479 -2.615 13.895 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 479 -1.479 13.231 0.521 1.00 0.00 H new ATOM 503 N LYS A 480 -5.523 13.150 -2.519 1.00 0.00 N ATOM 504 CA LYS A 480 -6.501 13.563 -3.519 1.00 0.00 C ATOM 505 C LYS A 480 -7.792 14.035 -2.857 1.00 0.00 C ATOM 506 O LYS A 480 -8.352 15.065 -3.232 1.00 0.00 O ATOM 507 CB LYS A 480 -6.799 12.410 -4.478 1.00 0.00 C ATOM 508 CG LYS A 480 -5.599 11.984 -5.308 1.00 0.00 C ATOM 509 CD LYS A 480 -5.944 10.830 -6.235 1.00 0.00 C ATOM 510 CE LYS A 480 -6.892 11.268 -7.340 1.00 0.00 C ATOM 511 NZ LYS A 480 -6.981 10.255 -8.429 1.00 0.00 N ATOM 0 H LYS A 480 -5.283 12.159 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 480 -6.078 14.395 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -7.156 11.554 -3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -7.607 12.705 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -5.243 12.830 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -4.784 11.690 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -5.031 10.430 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -6.401 10.024 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -7.884 11.439 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -6.553 12.218 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -7.637 10.591 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -6.039 10.110 -8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -7.329 9.356 -8.039 1.00 0.00 H new ATOM 525 N LYS A 481 -8.260 13.274 -1.874 1.00 0.00 N ATOM 526 CA LYS A 481 -9.486 13.615 -1.161 1.00 0.00 C ATOM 527 C LYS A 481 -9.741 12.638 -0.018 1.00 0.00 C ATOM 528 O LYS A 481 -10.228 11.528 -0.234 1.00 0.00 O ATOM 529 CB LYS A 481 -10.675 13.616 -2.122 1.00 0.00 C ATOM 530 CG LYS A 481 -11.977 14.069 -1.480 1.00 0.00 C ATOM 531 CD LYS A 481 -12.002 15.576 -1.279 1.00 0.00 C ATOM 532 CE LYS A 481 -13.339 16.042 -0.725 1.00 0.00 C ATOM 533 NZ LYS A 481 -14.246 16.531 -1.801 1.00 0.00 N ATOM 0 H LYS A 481 -7.809 12.417 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 481 -9.367 14.614 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -10.449 14.269 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -10.808 12.611 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -12.817 13.770 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -12.103 13.570 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -11.203 15.866 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -11.807 16.074 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -13.818 15.220 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -13.174 16.839 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -15.147 16.839 -1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -13.801 17.332 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -14.425 15.764 -2.480 1.00 0.00 H new ATOM 547 N THR A 482 -9.408 13.057 1.197 1.00 0.00 N ATOM 548 CA THR A 482 -9.600 12.219 2.375 1.00 0.00 C ATOM 549 C THR A 482 -9.737 13.071 3.634 1.00 0.00 C ATOM 550 O THR A 482 -10.609 12.828 4.468 1.00 0.00 O ATOM 551 CB THR A 482 -8.432 11.244 2.531 1.00 0.00 C ATOM 552 OG1 THR A 482 -7.254 11.930 2.918 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.121 10.475 1.266 1.00 0.00 C ATOM 0 H THR A 482 -9.003 13.973 1.393 1.00 0.00 H new ATOM 0 HA THR A 482 -10.521 11.653 2.239 1.00 0.00 H new ATOM 0 HB THR A 482 -8.747 10.537 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 482 -6.519 11.289 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 482 -7.283 9.802 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 482 -8.995 9.895 0.969 1.00 0.00 H new ATOM 0 HG23 THR A 482 -7.861 11.173 0.470 1.00 0.00 H new ATOM 561 N GLY A 483 -8.870 14.069 3.765 1.00 0.00 N ATOM 562 CA GLY A 483 -8.911 14.941 4.924 1.00 0.00 C ATOM 563 C GLY A 483 -7.787 14.658 5.903 1.00 0.00 C ATOM 564 O GLY A 483 -7.414 15.522 6.695 1.00 0.00 O ATOM 0 H GLY A 483 -8.139 14.290 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -8.851 15.979 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -9.869 14.822 5.431 1.00 0.00 H new ATOM 568 N LEU A 484 -7.246 13.444 5.848 1.00 0.00 N ATOM 569 CA LEU A 484 -6.159 13.051 6.736 1.00 0.00 C ATOM 570 C LEU A 484 -4.804 13.295 6.077 1.00 0.00 C ATOM 571 O LEU A 484 -4.648 13.107 4.871 1.00 0.00 O ATOM 572 CB LEU A 484 -6.293 11.576 7.123 1.00 0.00 C ATOM 573 CG LEU A 484 -7.625 11.191 7.771 1.00 0.00 C ATOM 574 CD1 LEU A 484 -7.948 12.123 8.929 1.00 0.00 C ATOM 575 CD2 LEU A 484 -8.745 11.211 6.741 1.00 0.00 C ATOM 0 H LEU A 484 -7.543 12.717 5.198 1.00 0.00 H new ATOM 0 HA LEU A 484 -6.221 13.661 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -6.153 10.968 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -5.486 11.322 7.810 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.535 10.178 8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.899 11.832 9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -7.160 12.058 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.017 13.147 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -9.684 10.935 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.833 12.212 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -8.520 10.500 5.945 1.00 0.00 H new ATOM 587 N SER A 485 -3.830 13.713 6.877 1.00 0.00 N ATOM 588 CA SER A 485 -2.488 13.981 6.372 1.00 0.00 C ATOM 589 C SER A 485 -1.880 12.728 5.750 1.00 0.00 C ATOM 590 O SER A 485 -2.377 11.620 5.953 1.00 0.00 O ATOM 591 CB SER A 485 -1.589 14.494 7.498 1.00 0.00 C ATOM 592 OG SER A 485 -2.105 15.687 8.060 1.00 0.00 O ATOM 0 H SER A 485 -3.944 13.874 7.878 1.00 0.00 H new ATOM 0 HA SER A 485 -2.564 14.747 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 485 -1.501 13.732 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 485 -0.586 14.674 7.113 1.00 0.00 H new ATOM 0 HG SER A 485 -1.513 15.993 8.778 1.00 0.00 H new ATOM 598 N SER A 486 -0.802 12.911 4.993 1.00 0.00 N ATOM 599 CA SER A 486 -0.126 11.793 4.342 1.00 0.00 C ATOM 600 C SER A 486 0.314 10.753 5.367 1.00 0.00 C ATOM 601 O SER A 486 0.321 9.554 5.086 1.00 0.00 O ATOM 602 CB SER A 486 1.084 12.293 3.552 1.00 0.00 C ATOM 603 OG SER A 486 2.091 12.785 4.419 1.00 0.00 O ATOM 0 H SER A 486 -0.378 13.822 4.815 1.00 0.00 H new ATOM 0 HA SER A 486 -0.830 11.324 3.655 1.00 0.00 H new ATOM 0 HB2 SER A 486 1.487 11.482 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 486 0.774 13.081 2.866 1.00 0.00 H new ATOM 0 HG SER A 486 2.855 13.097 3.890 1.00 0.00 H new ATOM 609 N GLU A 487 0.679 11.219 6.557 1.00 0.00 N ATOM 610 CA GLU A 487 1.119 10.328 7.623 1.00 0.00 C ATOM 611 C GLU A 487 -0.071 9.612 8.256 1.00 0.00 C ATOM 612 O GLU A 487 0.004 8.425 8.573 1.00 0.00 O ATOM 613 CB GLU A 487 1.883 11.114 8.691 1.00 0.00 C ATOM 614 CG GLU A 487 1.037 12.160 9.398 1.00 0.00 C ATOM 615 CD GLU A 487 1.838 12.993 10.380 1.00 0.00 C ATOM 616 OE1 GLU A 487 2.974 12.592 10.712 1.00 0.00 O ATOM 617 OE2 GLU A 487 1.329 14.045 10.820 1.00 0.00 O ATOM 0 H GLU A 487 0.679 12.208 6.807 1.00 0.00 H new ATOM 0 HA GLU A 487 1.783 9.580 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 487 2.277 10.417 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 487 2.739 11.604 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 487 0.583 12.817 8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 487 0.222 11.666 9.927 1.00 0.00 H new ATOM 624 N GLN A 488 -1.166 10.342 8.436 1.00 0.00 N ATOM 625 CA GLN A 488 -2.373 9.777 9.030 1.00 0.00 C ATOM 626 C GLN A 488 -2.983 8.717 8.118 1.00 0.00 C ATOM 627 O GLN A 488 -3.440 7.674 8.584 1.00 0.00 O ATOM 628 CB GLN A 488 -3.397 10.881 9.303 1.00 0.00 C ATOM 629 CG GLN A 488 -2.941 11.887 10.347 1.00 0.00 C ATOM 630 CD GLN A 488 -3.995 12.936 10.645 1.00 0.00 C ATOM 631 OE1 GLN A 488 -4.220 13.849 9.851 1.00 0.00 O ATOM 632 NE2 GLN A 488 -4.649 12.808 11.793 1.00 0.00 N ATOM 0 H GLN A 488 -1.243 11.326 8.179 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.097 9.305 9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -3.609 11.407 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -4.331 10.426 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -2.687 11.361 11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -2.032 12.379 10.000 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -4.430 12.035 12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -5.371 13.482 12.047 1.00 0.00 H new ATOM 641 N THR A 489 -2.983 8.990 6.817 1.00 0.00 N ATOM 642 CA THR A 489 -3.536 8.058 5.842 1.00 0.00 C ATOM 643 C THR A 489 -2.798 6.725 5.886 1.00 0.00 C ATOM 644 O THR A 489 -3.406 5.662 5.763 1.00 0.00 O ATOM 645 CB THR A 489 -3.455 8.652 4.434 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.018 9.951 4.404 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.168 7.819 3.391 1.00 0.00 C ATOM 0 H THR A 489 -2.607 9.848 6.414 1.00 0.00 H new ATOM 0 HA THR A 489 -4.582 7.883 6.096 1.00 0.00 H new ATOM 0 HB THR A 489 -2.392 8.677 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 489 -3.403 10.584 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 489 -4.072 8.297 2.416 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.723 6.824 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.223 7.735 3.651 1.00 0.00 H new ATOM 655 N VAL A 490 -1.483 6.790 6.065 1.00 0.00 N ATOM 656 CA VAL A 490 -0.660 5.590 6.127 1.00 0.00 C ATOM 657 C VAL A 490 -1.010 4.747 7.349 1.00 0.00 C ATOM 658 O VAL A 490 -0.881 3.524 7.329 1.00 0.00 O ATOM 659 CB VAL A 490 0.841 5.940 6.170 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.689 4.677 6.115 1.00 0.00 C ATOM 661 CG2 VAL A 490 1.202 6.883 5.032 1.00 0.00 C ATOM 0 H VAL A 490 -0.965 7.662 6.170 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.866 5.017 5.223 1.00 0.00 H new ATOM 0 HB VAL A 490 1.049 6.447 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.745 4.946 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.451 4.041 6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.479 4.138 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 490 2.265 7.119 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.978 6.405 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.622 7.802 5.123 1.00 0.00 H new ATOM 671 N ASN A 491 -1.454 5.410 8.413 1.00 0.00 N ATOM 672 CA ASN A 491 -1.821 4.720 9.646 1.00 0.00 C ATOM 673 C ASN A 491 -2.905 3.677 9.388 1.00 0.00 C ATOM 674 O ASN A 491 -2.822 2.550 9.874 1.00 0.00 O ATOM 675 CB ASN A 491 -2.306 5.727 10.692 1.00 0.00 C ATOM 676 CG ASN A 491 -2.389 5.123 12.080 1.00 0.00 C ATOM 677 OD1 ASN A 491 -1.380 4.710 12.652 1.00 0.00 O ATOM 678 ND2 ASN A 491 -3.596 5.066 12.629 1.00 0.00 N ATOM 0 H ASN A 491 -1.568 6.423 8.446 1.00 0.00 H new ATOM 0 HA ASN A 491 -0.935 4.209 10.023 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -1.630 6.582 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.287 6.103 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -3.714 4.668 13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -4.405 5.420 12.119 1.00 0.00 H new ATOM 685 N VAL A 492 -3.921 4.060 8.620 1.00 0.00 N ATOM 686 CA VAL A 492 -5.019 3.156 8.299 1.00 0.00 C ATOM 687 C VAL A 492 -4.568 2.072 7.326 1.00 0.00 C ATOM 688 O VAL A 492 -4.779 0.884 7.565 1.00 0.00 O ATOM 689 CB VAL A 492 -6.213 3.916 7.688 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.397 2.982 7.488 1.00 0.00 C ATOM 691 CG2 VAL A 492 -6.600 5.097 8.565 1.00 0.00 C ATOM 0 H VAL A 492 -4.006 4.990 8.209 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.334 2.694 9.235 1.00 0.00 H new ATOM 0 HB VAL A 492 -5.914 4.299 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.230 3.537 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.113 2.173 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -7.699 2.566 8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.444 5.621 8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -6.879 4.738 9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -5.754 5.779 8.651 1.00 0.00 H new ATOM 701 N LEU A 493 -3.945 2.491 6.230 1.00 0.00 N ATOM 702 CA LEU A 493 -3.462 1.557 5.220 1.00 0.00 C ATOM 703 C LEU A 493 -2.404 0.625 5.802 1.00 0.00 C ATOM 704 O LEU A 493 -2.265 -0.519 5.371 1.00 0.00 O ATOM 705 CB LEU A 493 -2.886 2.319 4.024 1.00 0.00 C ATOM 706 CG LEU A 493 -3.891 2.647 2.918 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.296 1.383 2.175 1.00 0.00 C ATOM 708 CD2 LEU A 493 -5.114 3.344 3.496 1.00 0.00 C ATOM 0 H LEU A 493 -3.763 3.472 6.018 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.306 0.954 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.448 3.250 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.076 1.730 3.594 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.415 3.324 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.011 1.635 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.414 0.926 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.754 0.682 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.817 3.569 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -5.593 2.692 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.809 4.271 3.982 1.00 0.00 H new ATOM 720 N ALA A 494 -1.657 1.126 6.780 1.00 0.00 N ATOM 721 CA ALA A 494 -0.610 0.340 7.419 1.00 0.00 C ATOM 722 C ALA A 494 -1.195 -0.830 8.200 1.00 0.00 C ATOM 723 O ALA A 494 -0.697 -1.951 8.125 1.00 0.00 O ATOM 724 CB ALA A 494 0.225 1.222 8.336 1.00 0.00 C ATOM 0 H ALA A 494 -1.758 2.072 7.147 1.00 0.00 H new ATOM 0 HA ALA A 494 0.031 -0.066 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 494 1.004 0.622 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.684 2.021 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.414 1.656 9.105 1.00 0.00 H new ATOM 730 N GLN A 495 -2.254 -0.556 8.951 1.00 0.00 N ATOM 731 CA GLN A 495 -2.910 -1.582 9.753 1.00 0.00 C ATOM 732 C GLN A 495 -3.733 -2.526 8.882 1.00 0.00 C ATOM 733 O GLN A 495 -3.725 -3.740 9.088 1.00 0.00 O ATOM 734 CB GLN A 495 -3.808 -0.934 10.810 1.00 0.00 C ATOM 735 CG GLN A 495 -3.052 -0.062 11.798 1.00 0.00 C ATOM 736 CD GLN A 495 -1.959 -0.820 12.526 1.00 0.00 C ATOM 737 OE1 GLN A 495 -2.190 -1.908 13.056 1.00 0.00 O ATOM 738 NE2 GLN A 495 -0.762 -0.248 12.557 1.00 0.00 N ATOM 0 H GLN A 495 -2.678 0.369 9.022 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.133 -2.166 10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -4.565 -0.330 10.310 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -4.334 -1.716 11.357 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -2.612 0.783 11.269 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -3.752 0.347 12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.616 0.654 12.104 1.00 0.00 H new ATOM 0 HE22 GLN A 495 0.012 -0.711 13.033 1.00 0.00 H new ATOM 747 N ILE A 496 -4.447 -1.963 7.911 1.00 0.00 N ATOM 748 CA ILE A 496 -5.276 -2.759 7.015 1.00 0.00 C ATOM 749 C ILE A 496 -4.427 -3.718 6.187 1.00 0.00 C ATOM 750 O ILE A 496 -4.764 -4.893 6.033 1.00 0.00 O ATOM 751 CB ILE A 496 -6.117 -1.855 6.081 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.433 -2.543 5.718 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.347 -1.475 4.821 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.370 -1.668 4.914 1.00 0.00 C ATOM 0 H ILE A 496 -4.467 -0.960 7.726 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.955 -3.344 7.635 1.00 0.00 H new ATOM 0 HB ILE A 496 -6.337 -0.934 6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.216 -3.448 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.936 -2.855 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -5.970 -0.841 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.442 -0.935 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.078 -2.378 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.283 -2.220 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.617 -0.775 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -7.886 -1.377 3.982 1.00 0.00 H new ATOM 766 N LEU A 497 -3.328 -3.203 5.655 1.00 0.00 N ATOM 767 CA LEU A 497 -2.422 -4.001 4.836 1.00 0.00 C ATOM 768 C LEU A 497 -1.640 -4.995 5.688 1.00 0.00 C ATOM 769 O LEU A 497 -1.301 -6.083 5.229 1.00 0.00 O ATOM 770 CB LEU A 497 -1.457 -3.091 4.075 1.00 0.00 C ATOM 771 CG LEU A 497 -2.055 -2.399 2.848 1.00 0.00 C ATOM 772 CD1 LEU A 497 -1.429 -1.027 2.649 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.864 -3.259 1.608 1.00 0.00 C ATOM 0 H LEU A 497 -3.040 -2.232 5.776 1.00 0.00 H new ATOM 0 HA LEU A 497 -3.022 -4.564 4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.085 -2.328 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.598 -3.682 3.758 1.00 0.00 H new ATOM 0 HG LEU A 497 -3.124 -2.266 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.867 -0.551 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.617 -0.411 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 497 -0.354 -1.135 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -2.295 -2.753 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 497 -0.800 -3.423 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -2.361 -4.219 1.751 1.00 0.00 H new ATOM 785 N LYS A 498 -1.352 -4.618 6.930 1.00 0.00 N ATOM 786 CA LYS A 498 -0.602 -5.484 7.838 1.00 0.00 C ATOM 787 C LYS A 498 -1.164 -6.904 7.840 1.00 0.00 C ATOM 788 O LYS A 498 -0.428 -7.872 7.657 1.00 0.00 O ATOM 789 CB LYS A 498 -0.629 -4.915 9.256 1.00 0.00 C ATOM 790 CG LYS A 498 0.434 -5.506 10.170 1.00 0.00 C ATOM 791 CD LYS A 498 -0.183 -6.333 11.286 1.00 0.00 C ATOM 792 CE LYS A 498 -0.622 -7.700 10.789 1.00 0.00 C ATOM 793 NZ LYS A 498 -0.312 -8.774 11.772 1.00 0.00 N ATOM 0 H LYS A 498 -1.625 -3.721 7.331 1.00 0.00 H new ATOM 0 HA LYS A 498 0.428 -5.524 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 498 -0.495 -3.834 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 498 -1.612 -5.095 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 498 1.111 -6.130 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 498 1.032 -4.703 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.539 -6.453 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -1.040 -5.803 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 498 -1.694 -7.687 10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 498 -0.126 -7.919 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -0.627 -9.691 11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 0.714 -8.804 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -0.806 -8.579 12.666 1.00 0.00 H new ATOM 807 N ARG A 499 -2.470 -7.018 8.050 1.00 0.00 N ATOM 808 CA ARG A 499 -3.133 -8.318 8.079 1.00 0.00 C ATOM 809 C ARG A 499 -3.387 -8.854 6.669 1.00 0.00 C ATOM 810 O ARG A 499 -3.689 -10.035 6.493 1.00 0.00 O ATOM 811 CB ARG A 499 -4.457 -8.217 8.838 1.00 0.00 C ATOM 812 CG ARG A 499 -4.294 -7.821 10.297 1.00 0.00 C ATOM 813 CD ARG A 499 -5.628 -7.832 11.027 1.00 0.00 C ATOM 814 NE ARG A 499 -5.536 -7.208 12.345 1.00 0.00 N ATOM 815 CZ ARG A 499 -5.011 -7.806 13.414 1.00 0.00 C ATOM 816 NH1 ARG A 499 -4.525 -9.039 13.321 1.00 0.00 N ATOM 817 NH2 ARG A 499 -4.969 -7.170 14.576 1.00 0.00 N ATOM 0 H ARG A 499 -3.093 -6.225 8.203 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.469 -9.015 8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -5.096 -7.487 8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.970 -9.177 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -3.604 -8.508 10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -3.852 -6.827 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -6.373 -7.307 10.429 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -5.973 -8.860 11.136 1.00 0.00 H new ATOM 0 HE ARG A 499 -5.895 -6.259 12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -4.553 -9.532 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.124 -9.492 14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -5.339 -6.222 14.652 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -4.567 -7.628 15.394 1.00 0.00 H new ATOM 831 N LEU A 500 -3.284 -7.980 5.669 1.00 0.00 N ATOM 832 CA LEU A 500 -3.524 -8.367 4.279 1.00 0.00 C ATOM 833 C LEU A 500 -2.829 -9.676 3.916 1.00 0.00 C ATOM 834 O LEU A 500 -3.424 -10.549 3.284 1.00 0.00 O ATOM 835 CB LEU A 500 -3.071 -7.258 3.329 1.00 0.00 C ATOM 836 CG LEU A 500 -3.323 -7.533 1.846 1.00 0.00 C ATOM 837 CD1 LEU A 500 -4.804 -7.410 1.524 1.00 0.00 C ATOM 838 CD2 LEU A 500 -2.507 -6.582 0.983 1.00 0.00 C ATOM 0 H LEU A 500 -3.036 -6.999 5.795 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.598 -8.522 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -3.581 -6.335 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -2.004 -7.088 3.475 1.00 0.00 H new ATOM 0 HG LEU A 500 -3.009 -8.553 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.964 -7.609 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -5.366 -8.131 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -5.145 -6.402 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -2.698 -6.791 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -2.791 -5.554 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -1.446 -6.719 1.193 1.00 0.00 H new ATOM 850 N ASN A 501 -1.572 -9.807 4.310 1.00 0.00 N ATOM 851 CA ASN A 501 -0.804 -11.013 4.014 1.00 0.00 C ATOM 852 C ASN A 501 -0.668 -11.219 2.506 1.00 0.00 C ATOM 853 O ASN A 501 -0.943 -12.303 1.991 1.00 0.00 O ATOM 854 CB ASN A 501 -1.470 -12.235 4.652 1.00 0.00 C ATOM 855 CG ASN A 501 -1.013 -12.461 6.081 1.00 0.00 C ATOM 856 OD1 ASN A 501 0.184 -12.524 6.359 1.00 0.00 O ATOM 857 ND2 ASN A 501 -1.969 -12.584 6.994 1.00 0.00 N ATOM 0 H ASN A 501 -1.060 -9.097 4.834 1.00 0.00 H new ATOM 0 HA ASN A 501 0.194 -10.891 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -2.552 -12.106 4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -1.245 -13.120 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 501 -1.723 -12.738 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -2.949 -12.525 6.717 1.00 0.00 H new ATOM 864 N PRO A 502 -0.235 -10.176 1.776 1.00 0.00 N ATOM 865 CA PRO A 502 -0.058 -10.249 0.323 1.00 0.00 C ATOM 866 C PRO A 502 1.174 -11.060 -0.068 1.00 0.00 C ATOM 867 O PRO A 502 1.764 -11.750 0.764 1.00 0.00 O ATOM 868 CB PRO A 502 0.118 -8.785 -0.081 1.00 0.00 C ATOM 869 CG PRO A 502 0.714 -8.138 1.122 1.00 0.00 C ATOM 870 CD PRO A 502 0.120 -8.845 2.309 1.00 0.00 C ATOM 0 HA PRO A 502 -0.895 -10.746 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 502 0.770 -8.688 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.836 -8.329 -0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 502 1.800 -8.229 1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.484 -7.073 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 502 0.833 -8.919 3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.755 -8.320 2.692 1.00 0.00 H new ATOM 878 N GLU A 503 1.558 -10.972 -1.337 1.00 0.00 N ATOM 879 CA GLU A 503 2.723 -11.696 -1.835 1.00 0.00 C ATOM 880 C GLU A 503 3.843 -10.728 -2.202 1.00 0.00 C ATOM 881 O GLU A 503 3.616 -9.733 -2.890 1.00 0.00 O ATOM 882 CB GLU A 503 2.343 -12.540 -3.052 1.00 0.00 C ATOM 883 CG GLU A 503 1.271 -13.577 -2.763 1.00 0.00 C ATOM 884 CD GLU A 503 1.711 -14.602 -1.735 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.933 -14.724 -1.505 1.00 0.00 O ATOM 886 OE2 GLU A 503 0.836 -15.283 -1.162 1.00 0.00 O ATOM 0 H GLU A 503 1.080 -10.407 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 503 3.079 -12.355 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 503 1.994 -11.880 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 503 3.234 -13.045 -3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 503 0.372 -13.075 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.006 -14.088 -3.689 1.00 0.00 H new ATOM 893 N ARG A 504 5.052 -11.025 -1.737 1.00 0.00 N ATOM 894 CA ARG A 504 6.206 -10.178 -2.016 1.00 0.00 C ATOM 895 C ARG A 504 7.058 -10.767 -3.136 1.00 0.00 C ATOM 896 O ARG A 504 7.497 -11.914 -3.058 1.00 0.00 O ATOM 897 CB ARG A 504 7.052 -9.998 -0.755 1.00 0.00 C ATOM 898 CG ARG A 504 7.525 -11.308 -0.146 1.00 0.00 C ATOM 899 CD ARG A 504 8.380 -11.072 1.088 1.00 0.00 C ATOM 900 NE ARG A 504 8.938 -12.316 1.614 1.00 0.00 N ATOM 901 CZ ARG A 504 9.959 -12.369 2.466 1.00 0.00 C ATOM 902 NH1 ARG A 504 10.537 -11.251 2.889 1.00 0.00 N ATOM 903 NH2 ARG A 504 10.404 -13.541 2.896 1.00 0.00 N ATOM 0 H ARG A 504 5.258 -11.845 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 504 5.838 -9.204 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 504 7.920 -9.384 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 504 6.471 -9.451 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 504 6.663 -11.919 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 504 8.098 -11.868 -0.885 1.00 0.00 H new ATOM 0 HD2 ARG A 504 9.191 -10.387 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.779 -10.590 1.859 1.00 0.00 H new ATOM 0 HE ARG A 504 8.520 -13.196 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 504 10.199 -10.346 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 504 11.319 -11.297 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 504 9.964 -14.403 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 504 11.187 -13.581 3.549 1.00 0.00 H new ATOM 917 N LYS A 505 7.292 -9.971 -4.175 1.00 0.00 N ATOM 918 CA LYS A 505 8.093 -10.409 -5.311 1.00 0.00 C ATOM 919 C LYS A 505 9.072 -9.319 -5.736 1.00 0.00 C ATOM 920 O LYS A 505 8.767 -8.129 -5.651 1.00 0.00 O ATOM 921 CB LYS A 505 7.189 -10.784 -6.486 1.00 0.00 C ATOM 922 CG LYS A 505 6.243 -11.936 -6.182 1.00 0.00 C ATOM 923 CD LYS A 505 5.572 -12.453 -7.444 1.00 0.00 C ATOM 924 CE LYS A 505 4.628 -11.420 -8.038 1.00 0.00 C ATOM 925 NZ LYS A 505 4.685 -11.404 -9.526 1.00 0.00 N ATOM 0 H LYS A 505 6.937 -9.018 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 505 8.662 -11.287 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.604 -9.911 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.810 -11.051 -7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 505 6.795 -12.745 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.483 -11.607 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.332 -12.717 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 505 5.019 -13.364 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 505 3.609 -11.633 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.884 -10.432 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.027 -10.686 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.652 -11.176 -9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.416 -12.339 -9.894 1.00 0.00 H new ATOM 939 N MET A 506 10.251 -9.732 -6.192 1.00 0.00 N ATOM 940 CA MET A 506 11.272 -8.789 -6.629 1.00 0.00 C ATOM 941 C MET A 506 11.243 -8.616 -8.145 1.00 0.00 C ATOM 942 O MET A 506 11.643 -9.511 -8.889 1.00 0.00 O ATOM 943 CB MET A 506 12.658 -9.264 -6.186 1.00 0.00 C ATOM 944 CG MET A 506 13.761 -8.251 -6.450 1.00 0.00 C ATOM 945 SD MET A 506 15.403 -8.905 -6.093 1.00 0.00 S ATOM 946 CE MET A 506 15.284 -9.173 -4.326 1.00 0.00 C ATOM 0 H MET A 506 10.522 -10.713 -6.268 1.00 0.00 H new ATOM 0 HA MET A 506 11.060 -7.825 -6.167 1.00 0.00 H new ATOM 0 HB2 MET A 506 12.632 -9.491 -5.120 1.00 0.00 H new ATOM 0 HB3 MET A 506 12.897 -10.193 -6.704 1.00 0.00 H new ATOM 0 HG2 MET A 506 13.718 -7.936 -7.493 1.00 0.00 H new ATOM 0 HG3 MET A 506 13.587 -7.363 -5.842 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.282 -9.318 -3.912 1.00 0.00 H new ATOM 0 HE2 MET A 506 14.819 -8.306 -3.857 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.678 -10.058 -4.132 1.00 0.00 H new ATOM 956 N ILE A 507 10.768 -7.460 -8.594 1.00 0.00 N ATOM 957 CA ILE A 507 10.687 -7.169 -10.020 1.00 0.00 C ATOM 958 C ILE A 507 11.489 -5.920 -10.371 1.00 0.00 C ATOM 959 O ILE A 507 11.283 -4.854 -9.791 1.00 0.00 O ATOM 960 CB ILE A 507 9.226 -6.972 -10.470 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.363 -8.145 -10.003 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.151 -6.824 -11.983 1.00 0.00 C ATOM 963 CD1 ILE A 507 6.893 -7.978 -10.318 1.00 0.00 C ATOM 0 H ILE A 507 10.433 -6.709 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 507 11.108 -8.027 -10.544 1.00 0.00 H new ATOM 0 HB ILE A 507 8.843 -6.058 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.725 -9.060 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.484 -8.268 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.113 -6.686 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.737 -5.959 -12.293 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.550 -7.721 -12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.343 -8.847 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.515 -7.081 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.760 -7.885 -11.396 1.00 0.00 H new ATOM 975 N ASN A 508 12.404 -6.059 -11.325 1.00 0.00 N ATOM 976 CA ASN A 508 13.239 -4.943 -11.755 1.00 0.00 C ATOM 977 C ASN A 508 14.017 -4.360 -10.578 1.00 0.00 C ATOM 978 O ASN A 508 14.158 -3.144 -10.454 1.00 0.00 O ATOM 979 CB ASN A 508 12.377 -3.855 -12.401 1.00 0.00 C ATOM 980 CG ASN A 508 13.210 -2.771 -13.054 1.00 0.00 C ATOM 981 OD1 ASN A 508 13.347 -1.670 -12.519 1.00 0.00 O ATOM 982 ND2 ASN A 508 13.772 -3.075 -14.218 1.00 0.00 N ATOM 0 H ASN A 508 12.586 -6.935 -11.816 1.00 0.00 H new ATOM 0 HA ASN A 508 13.953 -5.316 -12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.725 -4.308 -13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 508 11.733 -3.408 -11.644 1.00 0.00 H new ATOM 0 HD21 ASN A 508 14.343 -2.384 -14.704 1.00 0.00 H new ATOM 0 HD22 ASN A 508 13.632 -4.000 -14.626 1.00 0.00 H new ATOM 989 N ASP A 509 14.521 -5.238 -9.717 1.00 0.00 N ATOM 990 CA ASP A 509 15.284 -4.814 -8.549 1.00 0.00 C ATOM 991 C ASP A 509 14.439 -3.930 -7.638 1.00 0.00 C ATOM 992 O ASP A 509 14.944 -2.987 -7.028 1.00 0.00 O ATOM 993 CB ASP A 509 16.544 -4.062 -8.984 1.00 0.00 C ATOM 994 CG ASP A 509 17.511 -4.944 -9.748 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.376 -6.184 -9.666 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.404 -4.397 -10.429 1.00 0.00 O ATOM 0 H ASP A 509 14.415 -6.248 -9.806 1.00 0.00 H new ATOM 0 HA ASP A 509 15.574 -5.705 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.260 -3.214 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.044 -3.657 -8.104 1.00 0.00 H new ATOM 1001 N LYS A 510 13.150 -4.242 -7.550 1.00 0.00 N ATOM 1002 CA LYS A 510 12.233 -3.478 -6.712 1.00 0.00 C ATOM 1003 C LYS A 510 11.238 -4.400 -6.014 1.00 0.00 C ATOM 1004 O LYS A 510 10.925 -5.481 -6.510 1.00 0.00 O ATOM 1005 CB LYS A 510 11.483 -2.442 -7.552 1.00 0.00 C ATOM 1006 CG LYS A 510 12.396 -1.455 -8.260 1.00 0.00 C ATOM 1007 CD LYS A 510 13.095 -0.535 -7.273 1.00 0.00 C ATOM 1008 CE LYS A 510 13.904 0.537 -7.986 1.00 0.00 C ATOM 1009 NZ LYS A 510 14.950 1.123 -7.104 1.00 0.00 N ATOM 0 H LYS A 510 12.717 -5.019 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 510 12.820 -2.963 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 510 10.876 -2.960 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 510 10.797 -1.892 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 510 13.140 -1.999 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 510 11.814 -0.860 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 510 12.355 -0.064 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 510 13.752 -1.121 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 510 14.374 0.108 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 510 13.236 1.326 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 15.479 1.849 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 14.500 1.555 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 15.603 0.375 -6.795 1.00 0.00 H new ATOM 1023 N MET A 511 10.744 -3.963 -4.860 1.00 0.00 N ATOM 1024 CA MET A 511 9.784 -4.750 -4.094 1.00 0.00 C ATOM 1025 C MET A 511 8.362 -4.500 -4.587 1.00 0.00 C ATOM 1026 O MET A 511 7.874 -3.370 -4.561 1.00 0.00 O ATOM 1027 CB MET A 511 9.887 -4.411 -2.606 1.00 0.00 C ATOM 1028 CG MET A 511 9.048 -5.315 -1.717 1.00 0.00 C ATOM 1029 SD MET A 511 9.832 -6.910 -1.413 1.00 0.00 S ATOM 1030 CE MET A 511 9.158 -7.881 -2.760 1.00 0.00 C ATOM 0 H MET A 511 10.992 -3.069 -4.435 1.00 0.00 H new ATOM 0 HA MET A 511 10.020 -5.805 -4.236 1.00 0.00 H new ATOM 0 HB2 MET A 511 10.930 -4.479 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 511 9.577 -3.377 -2.455 1.00 0.00 H new ATOM 0 HG2 MET A 511 8.867 -4.816 -0.765 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.076 -5.475 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.133 -8.932 -2.474 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.146 -7.542 -2.982 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.784 -7.760 -3.644 1.00 0.00 H new ATOM 1040 N HIS A 512 7.702 -5.562 -5.039 1.00 0.00 N ATOM 1041 CA HIS A 512 6.336 -5.459 -5.538 1.00 0.00 C ATOM 1042 C HIS A 512 5.403 -6.392 -4.774 1.00 0.00 C ATOM 1043 O HIS A 512 5.771 -7.519 -4.441 1.00 0.00 O ATOM 1044 CB HIS A 512 6.291 -5.785 -7.031 1.00 0.00 C ATOM 1045 CG HIS A 512 6.843 -4.698 -7.899 1.00 0.00 C ATOM 1046 ND1 HIS A 512 6.240 -3.631 -8.475 1.00 0.00 N flip ATOM 1047 CD2 HIS A 512 8.170 -4.630 -8.267 1.00 0.00 C flip ATOM 1048 CE1 HIS A 512 7.204 -2.945 -9.171 1.00 0.00 C flip ATOM 1049 NE2 HIS A 512 8.360 -3.567 -9.029 1.00 0.00 N flip ATOM 0 H HIS A 512 8.092 -6.504 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 512 5.998 -4.434 -5.386 1.00 0.00 H new ATOM 0 HB2 HIS A 512 6.852 -6.702 -7.211 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.259 -5.981 -7.321 1.00 0.00 H new ATOM 0 HD1 HIS A 512 5.253 -3.383 -8.405 1.00 0.00 H new ATOM 0 HD2 HIS A 512 8.935 -5.335 -7.978 1.00 0.00 H new ATOM 0 HE1 HIS A 512 7.043 -2.043 -9.742 1.00 0.00 H new ATOM 1058 N PHE A 513 4.193 -5.916 -4.498 1.00 0.00 N ATOM 1059 CA PHE A 513 3.205 -6.707 -3.773 1.00 0.00 C ATOM 1060 C PHE A 513 2.144 -7.254 -4.724 1.00 0.00 C ATOM 1061 O PHE A 513 1.605 -6.523 -5.554 1.00 0.00 O ATOM 1062 CB PHE A 513 2.545 -5.864 -2.682 1.00 0.00 C ATOM 1063 CG PHE A 513 3.308 -5.851 -1.387 1.00 0.00 C ATOM 1064 CD1 PHE A 513 3.123 -6.855 -0.450 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.209 -4.835 -1.108 1.00 0.00 C ATOM 1066 CE1 PHE A 513 3.823 -6.846 0.741 1.00 0.00 C ATOM 1067 CE2 PHE A 513 4.911 -4.822 0.083 1.00 0.00 C ATOM 1068 CZ PHE A 513 4.718 -5.828 1.009 1.00 0.00 C ATOM 0 H PHE A 513 3.873 -4.985 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 513 3.719 -7.548 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.437 -4.840 -3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 513 1.540 -6.245 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 513 2.424 -7.653 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.364 -4.046 -1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.671 -7.635 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 513 5.610 -4.025 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.265 -5.819 1.940 1.00 0.00 H new ATOM 1078 N SER A 514 1.850 -8.544 -4.594 1.00 0.00 N ATOM 1079 CA SER A 514 0.853 -9.188 -5.441 1.00 0.00 C ATOM 1080 C SER A 514 -0.100 -10.039 -4.608 1.00 0.00 C ATOM 1081 O SER A 514 0.249 -10.498 -3.521 1.00 0.00 O ATOM 1082 CB SER A 514 1.537 -10.057 -6.499 1.00 0.00 C ATOM 1083 OG SER A 514 2.422 -9.289 -7.295 1.00 0.00 O ATOM 0 H SER A 514 2.287 -9.163 -3.911 1.00 0.00 H new ATOM 0 HA SER A 514 0.276 -8.408 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.087 -10.863 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 514 0.784 -10.523 -7.134 1.00 0.00 H new ATOM 0 HG SER A 514 3.264 -9.155 -6.812 1.00 0.00 H new ATOM 1089 N LEU A 515 -1.308 -10.245 -5.125 1.00 0.00 N ATOM 1090 CA LEU A 515 -2.311 -11.040 -4.427 1.00 0.00 C ATOM 1091 C LEU A 515 -3.041 -11.966 -5.394 1.00 0.00 C ATOM 1092 O LEU A 515 -3.384 -11.571 -6.508 1.00 0.00 O ATOM 1093 CB LEU A 515 -3.313 -10.125 -3.716 1.00 0.00 C ATOM 1094 CG LEU A 515 -3.569 -10.467 -2.245 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -3.332 -9.251 -1.362 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -4.983 -10.996 -2.056 1.00 0.00 C ATOM 0 H LEU A 515 -1.615 -9.873 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.801 -11.653 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.952 -9.098 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -4.261 -10.162 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 515 -2.868 -11.247 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -3.519 -9.515 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.300 -8.917 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -4.007 -8.448 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -5.145 -11.233 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -5.700 -10.238 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.118 -11.896 -2.656 1.00 0.00 H new ATOM 1108 N LYS A 516 -3.276 -13.200 -4.961 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.966 -14.183 -5.788 1.00 0.00 C ATOM 1110 C LYS A 516 -5.439 -14.278 -5.405 1.00 0.00 C ATOM 1111 O LYS A 516 -5.775 -14.476 -4.238 1.00 0.00 O ATOM 1112 CB LYS A 516 -3.301 -15.554 -5.650 1.00 0.00 C ATOM 1113 CG LYS A 516 -2.083 -15.733 -6.541 1.00 0.00 C ATOM 1114 CD LYS A 516 -0.863 -15.036 -5.964 1.00 0.00 C ATOM 1115 CE LYS A 516 0.366 -15.251 -6.834 1.00 0.00 C ATOM 1116 NZ LYS A 516 1.606 -15.387 -6.021 1.00 0.00 N ATOM 0 H LYS A 516 -2.999 -13.543 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.900 -13.858 -6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -3.006 -15.702 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -4.031 -16.328 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -1.873 -16.796 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -2.295 -15.335 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -1.062 -13.968 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -0.669 -15.412 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 516 0.229 -16.147 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 516 0.474 -14.413 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 2.372 -15.763 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 1.882 -14.455 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 1.432 -16.038 -5.228 1.00 0.00 H new ATOM 1130 N GLU A 517 -6.313 -14.137 -6.396 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.750 -14.208 -6.164 1.00 0.00 C ATOM 1132 C GLU A 517 -8.270 -15.624 -6.393 1.00 0.00 C ATOM 1133 O GLU A 517 -7.437 -16.546 -6.512 1.00 0.00 O ATOM 1134 CB GLU A 517 -8.485 -13.227 -7.079 1.00 0.00 C ATOM 1135 CG GLU A 517 -8.354 -13.556 -8.557 1.00 0.00 C ATOM 1136 CD GLU A 517 -8.985 -12.505 -9.450 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -9.681 -11.614 -8.919 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -8.785 -12.574 -10.682 1.00 0.00 O ATOM 1139 OXT GLU A 517 -9.506 -15.797 -6.451 1.00 0.00 O ATOM 0 H GLU A 517 -6.051 -13.973 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.938 -13.936 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -9.541 -13.215 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -8.100 -12.222 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -7.299 -13.656 -8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -8.821 -14.521 -8.753 1.00 0.00 H new ATOM 1187 N GLU B 945 10.586 12.853 3.623 1.00 0.00 N ATOM 1188 CA GLU B 945 9.379 12.436 4.330 1.00 0.00 C ATOM 1189 C GLU B 945 8.369 11.817 3.368 1.00 0.00 C ATOM 1190 O GLU B 945 7.615 10.918 3.738 1.00 0.00 O ATOM 1191 CB GLU B 945 8.749 13.629 5.051 1.00 0.00 C ATOM 1192 CG GLU B 945 7.548 13.258 5.904 1.00 0.00 C ATOM 1193 CD GLU B 945 6.870 14.468 6.515 1.00 0.00 C ATOM 1194 OE1 GLU B 945 7.502 15.141 7.356 1.00 0.00 O ATOM 1195 OE2 GLU B 945 5.706 14.744 6.152 1.00 0.00 O ATOM 0 HA GLU B 945 9.661 11.682 5.065 1.00 0.00 H new ATOM 0 HB2 GLU B 945 9.502 14.100 5.683 1.00 0.00 H new ATOM 0 HB3 GLU B 945 8.444 14.370 4.312 1.00 0.00 H new ATOM 0 HG2 GLU B 945 6.828 12.713 5.294 1.00 0.00 H new ATOM 0 HG3 GLU B 945 7.866 12.584 6.700 1.00 0.00 H new ATOM 1202 N ALA B 946 8.359 12.307 2.132 1.00 0.00 N ATOM 1203 CA ALA B 946 7.442 11.801 1.119 1.00 0.00 C ATOM 1204 C ALA B 946 7.664 10.312 0.872 1.00 0.00 C ATOM 1205 O ALA B 946 6.714 9.529 0.844 1.00 0.00 O ATOM 1206 CB ALA B 946 7.602 12.582 -0.177 1.00 0.00 C ATOM 0 H ALA B 946 8.975 13.053 1.809 1.00 0.00 H new ATOM 0 HA ALA B 946 6.425 11.934 1.487 1.00 0.00 H new ATOM 0 HB1 ALA B 946 6.911 12.193 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA B 946 7.386 13.635 0.004 1.00 0.00 H new ATOM 0 HB3 ALA B 946 8.625 12.479 -0.540 1.00 0.00 H new ATOM 1212 N ASP B 947 8.924 9.928 0.697 1.00 0.00 N ATOM 1213 CA ASP B 947 9.271 8.533 0.455 1.00 0.00 C ATOM 1214 C ASP B 947 8.927 7.671 1.665 1.00 0.00 C ATOM 1215 O ASP B 947 8.542 6.510 1.525 1.00 0.00 O ATOM 1216 CB ASP B 947 10.760 8.406 0.129 1.00 0.00 C ATOM 1217 CG ASP B 947 11.126 9.074 -1.181 1.00 0.00 C ATOM 1218 OD1 ASP B 947 10.209 9.358 -1.979 1.00 0.00 O ATOM 1219 OD2 ASP B 947 12.331 9.315 -1.408 1.00 0.00 O ATOM 0 H ASP B 947 9.722 10.563 0.718 1.00 0.00 H new ATOM 0 HA ASP B 947 8.689 8.181 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP B 947 11.344 8.850 0.935 1.00 0.00 H new ATOM 0 HB3 ASP B 947 11.030 7.351 0.083 1.00 0.00 H new ATOM 1224 N GLU B 948 9.068 8.248 2.854 1.00 0.00 N ATOM 1225 CA GLU B 948 8.772 7.533 4.091 1.00 0.00 C ATOM 1226 C GLU B 948 7.323 7.061 4.116 1.00 0.00 C ATOM 1227 O GLU B 948 7.001 6.045 4.732 1.00 0.00 O ATOM 1228 CB GLU B 948 9.050 8.430 5.300 1.00 0.00 C ATOM 1229 CG GLU B 948 10.512 8.816 5.449 1.00 0.00 C ATOM 1230 CD GLU B 948 10.774 9.651 6.688 1.00 0.00 C ATOM 1231 OE1 GLU B 948 9.795 10.123 7.303 1.00 0.00 O ATOM 1232 OE2 GLU B 948 11.958 9.831 7.043 1.00 0.00 O ATOM 0 H GLU B 948 9.385 9.208 2.987 1.00 0.00 H new ATOM 0 HA GLU B 948 9.419 6.657 4.139 1.00 0.00 H new ATOM 0 HB2 GLU B 948 8.451 9.336 5.215 1.00 0.00 H new ATOM 0 HB3 GLU B 948 8.725 7.917 6.205 1.00 0.00 H new ATOM 0 HG2 GLU B 948 11.120 7.912 5.490 1.00 0.00 H new ATOM 0 HG3 GLU B 948 10.828 9.373 4.567 1.00 0.00 H new ATOM 1239 N MET B 949 6.450 7.805 3.443 1.00 0.00 N ATOM 1240 CA MET B 949 5.032 7.462 3.387 1.00 0.00 C ATOM 1241 C MET B 949 4.836 6.042 2.862 1.00 0.00 C ATOM 1242 O MET B 949 4.040 5.274 3.401 1.00 0.00 O ATOM 1243 CB MET B 949 4.283 8.456 2.498 1.00 0.00 C ATOM 1244 CG MET B 949 2.771 8.295 2.538 1.00 0.00 C ATOM 1245 SD MET B 949 1.928 9.377 1.368 1.00 0.00 S ATOM 1246 CE MET B 949 0.222 9.162 1.871 1.00 0.00 C ATOM 0 H MET B 949 6.699 8.650 2.929 1.00 0.00 H new ATOM 0 HA MET B 949 4.629 7.514 4.399 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.540 9.470 2.806 1.00 0.00 H new ATOM 0 HB3 MET B 949 4.625 8.339 1.470 1.00 0.00 H new ATOM 0 HG2 MET B 949 2.514 7.259 2.319 1.00 0.00 H new ATOM 0 HG3 MET B 949 2.413 8.506 3.546 1.00 0.00 H new ATOM 0 HE1 MET B 949 -0.283 10.128 1.866 1.00 0.00 H new ATOM 0 HE2 MET B 949 -0.279 8.487 1.178 1.00 0.00 H new ATOM 0 HE3 MET B 949 0.189 8.740 2.876 1.00 0.00 H new ATOM 1256 N ALA B 950 5.568 5.701 1.805 1.00 0.00 N ATOM 1257 CA ALA B 950 5.476 4.376 1.207 1.00 0.00 C ATOM 1258 C ALA B 950 6.403 3.388 1.906 1.00 0.00 C ATOM 1259 O ALA B 950 6.030 2.241 2.157 1.00 0.00 O ATOM 1260 CB ALA B 950 5.799 4.444 -0.277 1.00 0.00 C ATOM 0 H ALA B 950 6.231 6.325 1.346 1.00 0.00 H new ATOM 0 HA ALA B 950 4.453 4.021 1.331 1.00 0.00 H new ATOM 0 HB1 ALA B 950 5.726 3.447 -0.711 1.00 0.00 H new ATOM 0 HB2 ALA B 950 5.091 5.108 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA B 950 6.811 4.826 -0.412 1.00 0.00 H new ATOM 1266 N LYS B 951 7.616 3.837 2.215 1.00 0.00 N ATOM 1267 CA LYS B 951 8.600 2.990 2.882 1.00 0.00 C ATOM 1268 C LYS B 951 8.052 2.446 4.199 1.00 0.00 C ATOM 1269 O LYS B 951 8.283 1.288 4.545 1.00 0.00 O ATOM 1270 CB LYS B 951 9.889 3.774 3.138 1.00 0.00 C ATOM 1271 CG LYS B 951 10.630 4.156 1.869 1.00 0.00 C ATOM 1272 CD LYS B 951 11.957 4.830 2.179 1.00 0.00 C ATOM 1273 CE LYS B 951 12.651 5.303 0.913 1.00 0.00 C ATOM 1274 NZ LYS B 951 13.520 6.486 1.166 1.00 0.00 N ATOM 0 H LYS B 951 7.941 4.783 2.014 1.00 0.00 H new ATOM 0 HA LYS B 951 8.818 2.147 2.226 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.649 4.680 3.695 1.00 0.00 H new ATOM 0 HB3 LYS B 951 10.548 3.177 3.768 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.806 3.265 1.267 1.00 0.00 H new ATOM 0 HG3 LYS B 951 10.011 4.826 1.273 1.00 0.00 H new ATOM 0 HD2 LYS B 951 11.789 5.679 2.842 1.00 0.00 H new ATOM 0 HD3 LYS B 951 12.604 4.133 2.711 1.00 0.00 H new ATOM 0 HE2 LYS B 951 13.252 4.491 0.504 1.00 0.00 H new ATOM 0 HE3 LYS B 951 11.903 5.556 0.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 13.976 6.778 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 12.942 7.269 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 14.250 6.238 1.864 1.00 0.00 H new ATOM 1288 N ALA B 952 7.325 3.288 4.925 1.00 0.00 N ATOM 1289 CA ALA B 952 6.746 2.888 6.202 1.00 0.00 C ATOM 1290 C ALA B 952 5.709 1.786 6.010 1.00 0.00 C ATOM 1291 O ALA B 952 5.540 0.923 6.872 1.00 0.00 O ATOM 1292 CB ALA B 952 6.120 4.089 6.896 1.00 0.00 C ATOM 0 H ALA B 952 7.123 4.250 4.652 1.00 0.00 H new ATOM 0 HA ALA B 952 7.545 2.495 6.830 1.00 0.00 H new ATOM 0 HB1 ALA B 952 5.691 3.776 7.848 1.00 0.00 H new ATOM 0 HB2 ALA B 952 6.884 4.846 7.073 1.00 0.00 H new ATOM 0 HB3 ALA B 952 5.336 4.506 6.265 1.00 0.00 H new ATOM 1298 N LEU B 953 5.019 1.821 4.875 1.00 0.00 N ATOM 1299 CA LEU B 953 3.998 0.827 4.568 1.00 0.00 C ATOM 1300 C LEU B 953 4.618 -0.557 4.400 1.00 0.00 C ATOM 1301 O LEU B 953 4.081 -1.552 4.886 1.00 0.00 O ATOM 1302 CB LEU B 953 3.245 1.219 3.294 1.00 0.00 C ATOM 1303 CG LEU B 953 1.841 0.624 3.159 1.00 0.00 C ATOM 1304 CD1 LEU B 953 1.884 -0.890 3.294 1.00 0.00 C ATOM 1305 CD2 LEU B 953 0.906 1.228 4.196 1.00 0.00 C ATOM 0 H LEU B 953 5.149 2.528 4.152 1.00 0.00 H new ATOM 0 HA LEU B 953 3.297 0.792 5.402 1.00 0.00 H new ATOM 0 HB2 LEU B 953 3.167 2.306 3.257 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.837 0.912 2.432 1.00 0.00 H new ATOM 0 HG LEU B 953 1.459 0.866 2.167 1.00 0.00 H new ATOM 0 HD11 LEU B 953 0.876 -1.293 3.195 1.00 0.00 H new ATOM 0 HD12 LEU B 953 2.520 -1.307 2.513 1.00 0.00 H new ATOM 0 HD13 LEU B 953 2.287 -1.157 4.271 1.00 0.00 H new ATOM 0 HD21 LEU B 953 -0.088 0.794 4.086 1.00 0.00 H new ATOM 0 HD22 LEU B 953 1.286 1.016 5.196 1.00 0.00 H new ATOM 0 HD23 LEU B 953 0.849 2.307 4.050 1.00 0.00 H new ATOM 1317 N GLU B 954 5.750 -0.613 3.705 1.00 0.00 N ATOM 1318 CA GLU B 954 6.441 -1.876 3.470 1.00 0.00 C ATOM 1319 C GLU B 954 6.873 -2.518 4.783 1.00 0.00 C ATOM 1320 O GLU B 954 6.756 -3.731 4.960 1.00 0.00 O ATOM 1321 CB GLU B 954 7.659 -1.654 2.572 1.00 0.00 C ATOM 1322 CG GLU B 954 8.365 -2.940 2.175 1.00 0.00 C ATOM 1323 CD GLU B 954 9.629 -2.688 1.376 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.524 -2.164 0.249 1.00 0.00 O ATOM 1325 OE2 GLU B 954 10.724 -3.017 1.880 1.00 0.00 O ATOM 0 H GLU B 954 6.208 0.201 3.295 1.00 0.00 H new ATOM 0 HA GLU B 954 5.746 -2.552 2.971 1.00 0.00 H new ATOM 0 HB2 GLU B 954 7.344 -1.129 1.670 1.00 0.00 H new ATOM 0 HB3 GLU B 954 8.367 -1.005 3.088 1.00 0.00 H new ATOM 0 HG2 GLU B 954 8.614 -3.506 3.073 1.00 0.00 H new ATOM 0 HG3 GLU B 954 7.685 -3.557 1.588 1.00 0.00 H new ATOM 1332 N ALA B 955 7.374 -1.699 5.701 1.00 0.00 N ATOM 1333 CA ALA B 955 7.825 -2.189 6.998 1.00 0.00 C ATOM 1334 C ALA B 955 6.689 -2.857 7.764 1.00 0.00 C ATOM 1335 O ALA B 955 6.912 -3.783 8.542 1.00 0.00 O ATOM 1336 CB ALA B 955 8.415 -1.049 7.815 1.00 0.00 C ATOM 0 H ALA B 955 7.478 -0.693 5.571 1.00 0.00 H new ATOM 0 HA ALA B 955 8.597 -2.938 6.824 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.748 -1.428 8.781 1.00 0.00 H new ATOM 0 HB2 ALA B 955 9.263 -0.620 7.282 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.657 -0.281 7.968 1.00 0.00 H new ATOM 1342 N GLU B 956 5.469 -2.379 7.539 1.00 0.00 N ATOM 1343 CA GLU B 956 4.298 -2.930 8.210 1.00 0.00 C ATOM 1344 C GLU B 956 4.039 -4.368 7.771 1.00 0.00 C ATOM 1345 O GLU B 956 3.767 -5.239 8.597 1.00 0.00 O ATOM 1346 CB GLU B 956 3.069 -2.068 7.920 1.00 0.00 C ATOM 1347 CG GLU B 956 3.168 -0.660 8.485 1.00 0.00 C ATOM 1348 CD GLU B 956 3.159 -0.637 10.001 1.00 0.00 C ATOM 1349 OE1 GLU B 956 2.748 -1.648 10.608 1.00 0.00 O ATOM 1350 OE2 GLU B 956 3.561 0.393 10.581 1.00 0.00 O ATOM 0 H GLU B 956 5.266 -1.612 6.898 1.00 0.00 H new ATOM 0 HA GLU B 956 4.493 -2.929 9.282 1.00 0.00 H new ATOM 0 HB2 GLU B 956 2.923 -2.009 6.841 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.187 -2.556 8.335 1.00 0.00 H new ATOM 0 HG2 GLU B 956 4.083 -0.191 8.124 1.00 0.00 H new ATOM 0 HG3 GLU B 956 2.336 -0.063 8.112 1.00 0.00 H new ATOM 1357 N LEU B 957 4.123 -4.608 6.467 1.00 0.00 N ATOM 1358 CA LEU B 957 3.895 -5.942 5.919 1.00 0.00 C ATOM 1359 C LEU B 957 5.162 -6.794 5.989 1.00 0.00 C ATOM 1360 O LEU B 957 5.099 -8.019 5.888 1.00 0.00 O ATOM 1361 CB LEU B 957 3.407 -5.846 4.473 1.00 0.00 C ATOM 1362 CG LEU B 957 1.898 -5.653 4.311 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.566 -5.196 2.899 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.158 -6.939 4.646 1.00 0.00 C ATOM 0 H LEU B 957 4.347 -3.898 5.770 1.00 0.00 H new ATOM 0 HA LEU B 957 3.127 -6.425 6.524 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.919 -5.015 3.987 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.701 -6.753 3.945 1.00 0.00 H new ATOM 0 HG LEU B 957 1.573 -4.879 5.006 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.488 -5.064 2.803 1.00 0.00 H new ATOM 0 HD12 LEU B 957 2.067 -4.249 2.696 1.00 0.00 H new ATOM 0 HD13 LEU B 957 1.905 -5.946 2.185 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.086 -6.784 4.526 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.487 -7.733 3.976 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.370 -7.223 5.677 1.00 0.00 H new ATOM 1376 N ASN B 958 6.311 -6.144 6.159 1.00 0.00 N ATOM 1377 CA ASN B 958 7.584 -6.853 6.238 1.00 0.00 C ATOM 1378 C ASN B 958 7.575 -7.873 7.373 1.00 0.00 C ATOM 1379 O ASN B 958 8.029 -9.005 7.205 1.00 0.00 O ATOM 1380 CB ASN B 958 8.732 -5.862 6.439 1.00 0.00 C ATOM 1381 CG ASN B 958 9.097 -5.133 5.161 1.00 0.00 C ATOM 1382 OD1 ASN B 958 8.642 -5.493 4.075 1.00 0.00 O ATOM 1383 ND2 ASN B 958 9.922 -4.098 5.284 1.00 0.00 N ATOM 0 H ASN B 958 6.386 -5.130 6.244 1.00 0.00 H new ATOM 0 HA ASN B 958 7.730 -7.386 5.298 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.451 -5.135 7.201 1.00 0.00 H new ATOM 0 HB3 ASN B 958 9.607 -6.394 6.813 1.00 0.00 H new ATOM 0 HD21 ASN B 958 10.202 -3.568 4.459 1.00 0.00 H new ATOM 0 HD22 ASN B 958 10.275 -3.834 6.204 1.00 0.00 H new ATOM 1390 N ASP B 959 7.057 -7.467 8.527 1.00 0.00 N ATOM 1391 CA ASP B 959 6.990 -8.349 9.688 1.00 0.00 C ATOM 1392 C ASP B 959 6.005 -9.488 9.448 1.00 0.00 C ATOM 1393 O ASP B 959 6.326 -10.656 9.665 1.00 0.00 O ATOM 1394 CB ASP B 959 6.583 -7.559 10.933 1.00 0.00 C ATOM 1395 CG ASP B 959 7.630 -6.542 11.341 1.00 0.00 C ATOM 1396 OD1 ASP B 959 8.785 -6.657 10.877 1.00 0.00 O ATOM 1397 OD2 ASP B 959 7.296 -5.628 12.125 1.00 0.00 O ATOM 0 H ASP B 959 6.677 -6.533 8.684 1.00 0.00 H new ATOM 0 HA ASP B 959 7.980 -8.776 9.847 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.639 -7.048 10.743 1.00 0.00 H new ATOM 0 HB3 ASP B 959 6.411 -8.250 11.758 1.00 0.00 H new ATOM 1402 N LEU B 960 4.806 -9.138 8.995 1.00 0.00 N ATOM 1403 CA LEU B 960 3.771 -10.129 8.721 1.00 0.00 C ATOM 1404 C LEU B 960 4.192 -11.045 7.574 1.00 0.00 C ATOM 1405 O LEU B 960 3.863 -12.232 7.561 1.00 0.00 O ATOM 1406 CB LEU B 960 2.449 -9.428 8.389 1.00 0.00 C ATOM 1407 CG LEU B 960 1.369 -10.318 7.758 1.00 0.00 C ATOM 1408 CD1 LEU B 960 0.138 -10.400 8.654 1.00 0.00 C ATOM 1409 CD2 LEU B 960 0.994 -9.792 6.380 1.00 0.00 C ATOM 0 H LEU B 960 4.526 -8.175 8.810 1.00 0.00 H new ATOM 0 HA LEU B 960 3.631 -10.742 9.611 1.00 0.00 H new ATOM 0 HB2 LEU B 960 2.048 -8.994 9.305 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.657 -8.602 7.709 1.00 0.00 H new ATOM 0 HG LEU B 960 1.773 -11.324 7.650 1.00 0.00 H new ATOM 0 HD11 LEU B 960 -0.612 -11.036 8.184 1.00 0.00 H new ATOM 0 HD12 LEU B 960 0.418 -10.821 9.619 1.00 0.00 H new ATOM 0 HD13 LEU B 960 -0.273 -9.401 8.800 1.00 0.00 H new ATOM 0 HD21 LEU B 960 0.227 -10.432 5.943 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.611 -8.776 6.470 1.00 0.00 H new ATOM 0 HD23 LEU B 960 1.875 -9.792 5.739 1.00 0.00 H new ATOM 1421 N MET B 961 4.920 -10.486 6.614 1.00 0.00 N ATOM 1422 CA MET B 961 5.386 -11.252 5.464 1.00 0.00 C ATOM 1423 C MET B 961 6.777 -11.823 5.718 1.00 0.00 C ATOM 1424 O MET B 961 7.436 -11.370 6.677 1.00 0.00 O ATOM 1425 CB MET B 961 5.404 -10.371 4.212 1.00 0.00 C ATOM 1426 CG MET B 961 5.579 -11.154 2.921 1.00 0.00 C ATOM 1427 SD MET B 961 4.107 -12.095 2.474 1.00 0.00 S ATOM 1428 CE MET B 961 4.570 -13.733 3.034 1.00 0.00 C ATOM 1429 OXT MET B 961 7.196 -12.720 4.956 1.00 0.00 O ATOM 0 H MET B 961 5.200 -9.505 6.609 1.00 0.00 H new ATOM 0 HA MET B 961 4.696 -12.081 5.307 1.00 0.00 H new ATOM 0 HB2 MET B 961 4.473 -9.806 4.162 1.00 0.00 H new ATOM 0 HB3 MET B 961 6.213 -9.645 4.300 1.00 0.00 H new ATOM 0 HG2 MET B 961 5.824 -10.465 2.113 1.00 0.00 H new ATOM 0 HG3 MET B 961 6.423 -11.835 3.026 1.00 0.00 H new ATOM 0 HE1 MET B 961 4.264 -14.471 2.292 1.00 0.00 H new ATOM 0 HE2 MET B 961 5.651 -13.780 3.168 1.00 0.00 H new ATOM 0 HE3 MET B 961 4.077 -13.946 3.982 1.00 0.00 H new